iterations/neb0_image09_iter136_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.374440309328E+03 0.37444E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.242657772419E+01 -0.37201E+03 -0.35976E+03 877 0.196E+02
DAV: 3 -0.969202609294E+02 -0.99347E+02 -0.99011E+02 672 0.116E+02
DAV: 4 -0.101265000459E+03 -0.43447E+01 -0.43355E+01 704 0.281E+01
DAV: 5 -0.101349221654E+03 -0.84221E-01 -0.84183E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926808614159E+02 0.86684E+01 -0.30926E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918065564215E+02 0.87430E+00 -0.17101E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914280467803E+02 0.37851E+00 -0.54539E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913464352330E+02 0.81612E-01 -0.13188E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.913378456240E+02 0.85896E-02 -0.46150E-02 765 0.113E+00 0.304E-01
DAV: 11 -0.913420882977E+02 -0.42427E-02 -0.12474E-02 624 0.585E-01 0.134E-01
DAV: 12 -0.913451779996E+02 -0.30897E-02 -0.30334E-03 617 0.246E-01 0.118E-01
DAV: 13 -0.913489788562E+02 -0.38009E-02 -0.15656E-03 720 0.221E-01 0.431E-02
DAV: 14 -0.913520836594E+02 -0.31048E-02 -0.53469E-04 677 0.121E-01 0.369E-02
DAV: 15 -0.913538784425E+02 -0.17948E-02 -0.15874E-04 648 0.727E-02 0.347E-02
DAV: 16 -0.913551301817E+02 -0.12517E-02 -0.35981E-04 671 0.937E-02 0.211E-02
DAV: 17 -0.913554292530E+02 -0.29907E-03 -0.74123E-05 752 0.610E-02 0.117E-02
DAV: 18 -0.913556725282E+02 -0.24328E-03 -0.38936E-05 556 0.261E-02 0.106E-02
DAV: 19 -0.913557281089E+02 -0.55581E-04 -0.77171E-06 496 0.182E-02 0.490E-03
DAV: 20 -0.913557677657E+02 -0.39657E-04 -0.17435E-05 434 0.259E-02 0.535E-03
DAV: 21 -0.913557795436E+02 -0.11778E-04 -0.29908E-06 472 0.111E-02 0.423E-03
DAV: 22 -0.913557845130E+02 -0.49694E-05 -0.25072E-06 426 0.972E-03
1 F= -.91355785E+02 E0= -.91360555E+02 d E =0.143127E-01